2-azanyl-3-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)-3-thiophen-2-yl-propanoic acid

Systemtic Name: 2-azanyl-3-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)-3-thiophen-2-yl-propanoic acid Openeye Name: 2-amino-3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-3-(2-thienyl)propanoic acid CAS Name: 2-amino-3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-3-thiophen-2-ylpropanoic acid IUPAC Name: 2-amino-3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-3-thiophen-2-ylpropanoic acid Traditional Name: 2-amino-3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-3-(2-thienyl)propionic acid Formula: C13H19N3O2S MolecularWeight: 281.37386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC(C1)C(C2=CC=CS2)C(C(=O)O)N)N

Isomeric SMILES

C1CCC(=NC(C1)C(C2=CC=CS2)C(C(=O)O)N)N

InChI

InChI=1S/C13H19N3O2S/c14-10-6-2-1-4-8(16-10)11(12(15)13(17)18)9-5-3-7-19-9/h3,5,7-8,11-12H,1-2,4,6,15H2,(H2,14,16)(H,17,18)